C684-0046 Screening compound: N~1~-[3-(ethylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0046 Screening compound: N~1~-[3-(ethylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0046 Screening compound: N~1~-[3-(ethylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0046
N~1~-[3-(ethylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C684-0046

Molecular Formula

C26H30N8O (C26 H30 N8 O)

Compound Name

N~1~-[3-(ethylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

IUPAC name

N-{3-[ethyl(phenyl)amino]propyl}-4-{9-methyl-2457810-hexaazatetracyclo[10.4.0.0^{26}.0^{711}]hexadeca-1(16)358101214-heptaen-3-yl}butanamide

SMILES

CCN(CCCNC(CCCc1nnc2n3nc(C)nc3c(cccc3)c3n12)=O)c1ccccc1

InChI

InChI=1S/C26H30N8O/c1-3-32(20-11-5-4-6-12-20)18-10-17-27-24(35)16-9-15-23-29-30-26-33(23)22-14-8-7-13-21(22)25-28-19(2)31-34(25)26/h4-8,11-14H,3,9-10,15-18H2,1-2H3,(H,27,35)

InChI Key

ZCAZEDWUEOLXLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

1.475

Water Solubility, LogSw

-2.61

Polar Surface Area

71.557

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C684-0046 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C684-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0046?
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What is the minimum amount of C684-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0046
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C684-0046 available by request